CAS: 86-84-0; 1-Naphthylisocyanate

• 英文名称1-Naphthylisocyanate
• 中文名称1-萘基异氰酸酯
• IUPAC名称1-isocyanatonaphthalene
• 其它别名异氰酸1-萘基酯; α-Naphthyl Isocyanate
• CAS编号86-84-0
• MFCD编号:MFCD00003881
• EINECS号:201-703-7
• 分子式:C11H7NO
• 分子量:169.18
• 产品CID: 1871704
• 产品分类有机原料→分子砌块→芳环类化合物→萘类化合物

• 相似结构搜索
• InChIKey: BDQNKCYCTYYMAA-UHFFFAOYSA-N
• InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H…
• 计算化学: 氢键受体数2.0氢键供体数0可旋转键数1

相似化合物

物理性质

• 熔点4 °C
• 沸点267 °C at 761 mmHg
• 闪点-18.33°C
• 密度1.1±0.1 g/cm3
• PSA:29.43
• LogP:2.8071
• 折射率1.588
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Miscible With Alcohol, Chloroform And Diethyl Ether.
• 敏感性易受潮
• 外观形态无色至淡黄色至浅橙色透明液体
• 储存条件惰性气氛,2-8°C
• 产品应用该化合物用于乙醇阻塞剂的单独对应剂.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05 & GHS08;
  注释: Exclamation mark & Corrosion & Health hazard
• 危险类别急性毒性 类别4(吸入)
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
  呼吸道致敏 类别1
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  严重眼刺激 类别2
  皮肤腐蚀 类别1B
  皮肤致敏 类别1
  水生慢性毒性 类别3
  急性毒性 类别3(吸入)
  急性毒性 类别3(经口)
  严重眼刺激 类别2A
• 警示词Danger(危险)
• 危险描述H332 |吸入有害.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H334 |吸入可能引起过敏或哮喘症状或呼吸困难.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  H319 |造成严重眼刺激.
  H314 |造成严重皮肤灼伤和眼损伤.
  H317 |可能引起皮肤过敏反应.
  H412 |对水生生物有害并具有长期持续影响.
  H331 |吸入会中毒.
  H301 |吞咽会中毒.
• 防范说明P261-P264-P271-P272-P273-P280-P285-P302+P352-P305+P351+P338-P362-P403+P233-P405-P501
• 危险等级9
• UN编号3334.0
• 危险品标志Xn
• 包装等级Ⅲ
• 安全声明9-16-25-33-60-61-62-36/37/39-26-45-27-23
• 危险类别码20/21/22-36/37/38-42
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 879-18-5 = 86-84-0
  反应条件:1.1 Reagents: Sodium Azide Solvents: Dimethylformamide,Toluene
  标题:Synthesis Of Isocyanates From Carboxylic Chlorides And Sodium Azide In Mixtures Of Low-Polar And Polar Aprotic Solvents
  作者:Zlobin,V. A.; Et Al
  参考文献:Izvestiya Vysshikh Uchebnykh Zavedenii 日期:1989 卷标:32(12) 页码:35-7]
  
  = 86-84-0
  反应条件:1.1 Solvents: Ethyl Acetate; Rt; 4 H,Reflux
  标题:Comparison Of Base-Promoted And Self-Catalyzed Conditions In The Synthesis Of Isocyanates From Amines Using Triphosgene
  作者:Charalambides,Yiannis C.; Et Al
  参考文献:Synthetic Communications 日期:2007 卷标:37(6) 页码:1037-1044]
  
  5449-00-3 = 86-84-0
  反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O) Solvents: 1,2-Dichloroethane
  标题:A New And Efficient Catalytic Method For Synthesizing Isocyanates From Carbamates
  作者:Uriz,Pedro; Et Al
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(9) 页码:1673-1676]
  
  5449-00-3 = 86-84-0
  反应条件:1.1 Catalysts: Triethylamine,2-Chloro-1,3,2-Benzodioxaborole Solvents: Toluene
  标题:Dealcoholysis Process And Catalysts For Preparing Isocyanates From Urethanes
  参考文献:Canada]
  
  51792-34-8 + 106-69-4 = 86-84-0
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Monohydrate Solvents: Toluene; 36 H,110 °C2.1 Reagents: Triethylamine,Methanesulfonyl Chloride Solvents: Dichloromethane; 0 °C -> Rt; 4 H,Rt2.2 Reagents: Methanol; 30 Min,Rt2.3 Reagents: Sodium Azide Solvents: Acetone; Overnight,Reflux3.1 Reagents: Tetrabutylammonium Perchlorate Solvents: Acetonitrile4.1 Reagents: Tributylphosphine Solvents: Tetrahydrofuran; 30 Min,Rt4.2 3 H,Rt4.3 Reagents: Acetic Acid Solvents: Water; 15 Min,Rt
  标题:Staudinger-Ureation: A New And Fast Reaction For Surface Post-Functionalization
  作者:Godeau,Guilhem; Et Al
  参考文献:Materials Today Communications 日期:2016 卷标:8 页码:165-171]
  
  72594-62-8 = 86-84-0 + 2448163-75-3
  反应条件:1.1 Solvents: Methanol; 1.5 H,Rt1.2 Solvents: Water; Rt
  标题:Mild Deprotection Of The N-Tert-Butyloxycarbonyl (N-Boc) Group Using Oxalyl Chloride
  作者:George,Nathaniel; Et Al
  参考文献:Rsc Advances 日期:2020 卷标:10(40) 页码:24017-24026]
  
  244029-95-6 = 86-84-0 + 6330-51-4 + 1003-31-2 + 313516-36-8 + 5813-89-8 + 2376485-44-6 + 389056-99-9
  反应条件:1.1 Solvents: Acetonitrile; 60 Min,Rt
  标题:Production Of Amidinyl Radicals Via Uv-Vis-Light Promoted Reduction Of N-Arylthiophene-2-Carboxamidoximes And Application To The Preparation Of Some New N-Arylthiophene-2-Carboxamidines
  作者:Mekhemer,Islam M. A.; Et Al
  参考文献:Acs Omega 日期:2020 卷标:5(44) 页码:28712-28721]
  
  5255-68-5 = 86-84-0
  反应条件:1.1 Reagents: Triethylamine,Boron Trichloride Solvents: Benzene
  标题:Synthesis Of Isocyanates From Carbamate Esters Employing Boron Trichloride
  作者:Butler,D. C. D.; Et Al
  参考文献:Chemical Communications (Cambridge) 日期:1998 卷标:(23) 页码:2575-2576]
  
  879-18-5 = 86-84-0
  反应条件:1.1 Reagents: Sodium Azide Solvents: Acetone,Water; 0 - 5 °C; 5 °C -> Rt; 2 H,Reflux
  标题:Antimalarial Activity Of Novel Imidazoisoquinolinone Derivatives Correlates With Heme Binding Affinity
  作者:Bollini,Mariela; Et Al
  参考文献:Medicinal Chemistry Research 日期:2015 卷标:24(4) 页码:1496-1503]
  
  = 86-84-0
  反应条件:1.1 Solvents: Dichloromethane; Rt1.2 Reagents: Triethylamine Solvents: Dichloromethane; Rt
  标题:Design,Synthesis And Biological Evaluation Of Pyrimidinamine Derivatives Containing Urea Moiety
  作者:Liu,Weiqin; Et Al
  参考文献:Heterocycles 日期:2023 卷标:106(1) 页码:67-81]
  
  = 86-84-0
  反应条件:1.1 Solvents: Ethyl Acetate; 5 Min,0 °C; 4 H,Reflux
  标题:Naked Eye Detection Of Anions By 2,2'-Bianthracene Derivative Bearing Urea Groups In Various Organic Solvents
  作者:Osawa,Kohei; Et Al
  参考文献:Chemistry Letters 日期:2020 卷标:49(3) 页码:290-294]
  
  5449-00-3 = 86-84-0 [标题:Reaction Conditions
  标题:Acyclic And Cyclic Carbamic Acids And Esters,And Their Sulfur,Selenium,Tellurium,And Phosphorus Analogues'
  作者:Rossi,L.
  参考文献:Science Of Synthesis 日期:2005 卷标:18 页码:461-648]
  
  86-55-5 + 26386-88-9 = 86-84-0
  反应条件:1.1 Reagents: Proton Sponge Solvents: Tetrahydrofuran
  标题:Synthesis Of Isocyanates From Carboxylic Acids Using Diphenylphosphoryl Azide And 1,8-Bis(Dimethylamino)Naphthalene
  作者:Gilman,Jeffrey W.; Et Al
  参考文献:Synthetic Communications 日期:1993 卷标:23(3) 页码:335-41]
  
  86-84-0 + 1803239-82-8 = 86-84-0
  反应条件:1.1 Reagents: Tributylphosphine Solvents: Tetrahydrofuran; 30 Min,Rt1.2 3 H,Rt1.3 Reagents: Acetic Acid Solvents: Water; 15 Min,Rt
  标题:Staudinger-Ureation: A New And Fast Reaction For Surface Post-Functionalization
  作者:Godeau,Guilhem; Et Al
  参考文献:Materials Today Communications 日期:2016 卷标:8 页码:165-171]
  
  1803239-82-8 = 86-84-0
  反应条件:1.1 Reagents: Tetrabutylammonium Perchlorate Solvents: Acetonitrile2.1 Reagents: Tributylphosphine Solvents: Tetrahydrofuran; 30 Min,Rt2.2 3 H,Rt2.3 Reagents: Acetic Acid Solvents: Water; 15 Min,Rt
  标题:Staudinger-Ureation: A New And Fast Reaction For Surface Post-Functionalization
  作者:Godeau,Guilhem; Et Al
  参考文献:Materials Today Communications 日期:2016 卷标:8 页码:165-171]
  
  = 86-84-0
  反应条件:1.1 Reagents: Sodium Azide Solvents: Acetone; Overnight,Reflux2.1 Reagents: Tetrabutylammonium Perchlorate Solvents: Acetonitrile3.1 Reagents: Tributylphosphine Solvents: Tetrahydrofuran; 30 Min,Rt3.2 3 H,Rt3.3 Reagents: Acetic Acid Solvents: Water; 15 Min,Rt
  标题:Staudinger-Ureation: A New And Fast Reaction For Surface Post-Functionalization
  作者:Godeau,Guilhem; Et Al
  参考文献:Materials Today Communications 日期:2016 卷标:8 页码:165-171]
  
  611181-85-2 = 86-84-0
  反应条件:1.1 Reagents: Triethylamine,Methanesulfonyl Chloride Solvents: Dichloromethane; 0 °C -> Rt; 4 H,Rt1.2 Reagents: Methanol; 30 Min,Rt1.3 Reagents: Sodium Azide Solvents: Acetone; Overnight,Reflux2.1 Reagents: Tetrabutylammonium Perchlorate Solvents: Acetonitrile3.1 Reagents: Tributylphosphine Solvents: Tetrahydrofuran; 30 Min,Rt3.2 3 H,Rt3.3 Reagents: Acetic Acid Solvents: Water; 15 Min,Rt
  标题:Staudinger-Ureation: A New And Fast Reaction For Surface Post-Functionalization
  作者:Godeau,Guilhem; Et Al
  参考文献:Materials Today Communications 日期:2016 卷标:8 页码:165-171]
  
  611181-85-2 = 86-84-0
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; 0 °C -> Rt; 4 H,Rt1.2 Reagents: Methanol; 30 Min,Rt2.1 Reagents: Sodium Azide Solvents: Acetone; Overnight,Reflux3.1 Reagents: Tetrabutylammonium Perchlorate Solvents: Acetonitrile4.1 Reagents: Tributylphosphine Solvents: Tetrahydrofuran; 30 Min,Rt4.2 3 H,Rt4.3 Reagents: Acetic Acid Solvents: Water; 15 Min,Rt
  标题:Staudinger-Ureation: A New And Fast Reaction For Surface Post-Functionalization
  作者:Godeau,Guilhem; Et Al
  参考文献:Materials Today Communications 日期:2016 卷标:8 页码:165-171]
  
  = 86-84-0 + 5255-68-5
  反应条件:1.1 Reagents: Acetic Acid,Sodium Hydroxide Catalysts: Silica,Chitosan Solvents: Water; Ph 13,Rt1.2 Catalysts: Iron Chloride (Fecl3) Solvents: Ethanol; 80 °C1.3 Reagents: Triphenylphosphine Catalysts: P-Toluenesulfonic Acid,Nickel Dichloride Solvents: Ethanol; 4 H,4 Mpa,180 °C
  标题:Non-Noble Metallic Fe Catalyst Systems For The Reductive Carbonylation Of Nitrobenzene
  作者:Zhang,Jun; Et Al
  参考文献:Huaxue Xuebao 日期:2012 卷标:70(1) 页码:35-38]
  
  24424-99-5 = 86-84-0 + 2448163-75-3
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran,Water; 5 Min,Rt; Rt -> 0 °C1.2 2 H,0 °C; 4 H,0 °C -> Rt2.1 Solvents: Methanol; 1.5 H,Rt2.2 Solvents: Water; Rt
  标题:Mild Deprotection Of The N-Tert-Butyloxycarbonyl (N-Boc) Group Using Oxalyl Chloride
  作者:George,Nathaniel; Et Al
  参考文献:Rsc Advances 日期:2020 卷标:10(40) 页码:24017-24026

海关参考信息

• 2902902000-精萘
  2912110000-甲醛
  2929109000-其他异氰酸酯
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管